Package org.openscience.cdk.iupac.parser

Class MoleculeBuilder

java.lang.Object

org.openscience.cdk.iupac.parser.MoleculeBuilder

public class MoleculeBuilder
extends Object

Takes in parsed Tokens from NomParser and contains rules to convert those tokens to a Molecule.

Author:

David Robinson, Bhupinder Sandhu, Stephen Tomkinson

See Also:

Token

Source code:

main

Requires:

ant1.6

Constructor Summary

Constructors

Constructor	Description
MoleculeBuilder()	Instantiates a builder using the DefaultChemObjectBuilder.
MoleculeBuilder(IChemObjectBuilder builder)

Method Summary

Modifier and Type	Method	Description
protected IAtomContainer	buildMolecule(int mainChain, List<AttachedGroup> attachedSubstituents, List<AttachedGroup> attachedGroups, boolean isMainCyclic, String name)	Start of the process of building a molecule from the parsed data.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

MoleculeBuilder

public MoleculeBuilder(IChemObjectBuilder builder)

MoleculeBuilder

public MoleculeBuilder()

Instantiates a builder using the DefaultChemObjectBuilder.

Method Detail

buildMolecule

protected IAtomContainer buildMolecule(int mainChain,
                                       List<AttachedGroup> attachedSubstituents,
                                       List<AttachedGroup> attachedGroups,
                                       boolean isMainCyclic,
                                       String name)
                                throws ParseException,
                                       CDKException

Start of the process of building a molecule from the parsed data. Passes the parsed tokens to other functions which build up the Molecule.

Parameters:

mainChain - The string representation of the length of the main chain.

attachedSubstituents - A vector of AttachedGroup's representing substituents.

attachedGroups - A vector of AttachedGroup's representing functional groups.

isMainCyclic - An indication of if the main chain is cyclic.

Returns:

The molecule as built from the parsed tokens.

Throws:

ParseException

CDKException